ethyl 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4S/c1-2-36-26(33)19-37-29-30-25-16-22(27(34)31-15-14-21-10-6-7-11-23(21)18-31)12-13-24(25)28(35)32(29)17-20-8-4-3-5-9-20/h3-13,16H,2,14-15,17-19H2,1H3